Structure of PDB 2fli Chain A Binding Site BS02

Receptor Information
>2fli Chain A (length=217) Species: 1314 (Streptococcus pyogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLKIAPSILAADYANFASELARIEETDAEYVHIDIMDGQFVPNISFGADV
VASMRKHSKLVFDCHLMVVDPERYVEAFAQAGADIMTIHTESTRHIHGAL
QKIKAAGMKAGVVINPGTPATALEPLLDLVDQVLIMTVNPGFGGQAFIPE
CLEKVATVAKWRDEKGLSFDIEVDGGVDNKTIRACYEAGANVFVAGSYLF
KASDLVSQVQTLRTALN
Ligand information
Ligand IDDX5
InChIInChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+/m0/s1
InChIKeyVJDOAZKNBQCAGE-VPENINKCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O
OpenEye OEToolkits 1.5.0C(C(C(C(COP(=O)(O)O)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)CO
CACTVS 3.341OC[C@H](O)[C@@H](O)[C@H](O)CO[P](O)(O)=O
FormulaC5 H13 O8 P
NameD-XYLITOL-5-PHOSPHATE;
D-HYLITOL-5-PHOSPHATE
ChEMBL
DrugBank
ZINC
PDB chain2fli Chain A Residue 1901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fli d-Ribulose 5-Phosphate 3-Epimerase: Functional and Structural Relationships to Members of the Ribulose-Phosphate Binding (beta/alpha)(8)-Barrel Superfamily(,).
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S9 D36 M69 P142 G143 G145 D176 G177 G178 A197 G198 S199
Binding residue
(residue number reindexed from 1)		S7 D34 M67 P140 G141 G143 D174 G175 G176 A195 G196 S197
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) S9 H34 D36 M38 H67 M69 M138 D176
Catalytic site (residue number reindexed from 1) S7 H32 D34 M36 H65 M67 M136 D174
Enzyme Commision number 5.1.3.1: ribulose-phosphate 3-epimerase.
Gene Ontology
Molecular Function
GO:0004750 D-ribulose-phosphate 3-epimerase activity
GO:0016853 isomerase activity
GO:0016857 racemase and epimerase activity, acting on carbohydrates and derivatives
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006098 pentose-phosphate shunt
GO:0009052 pentose-phosphate shunt, non-oxidative branch
GO:0019323 pentose catabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2fli, PDBe:2fli, PDBj:2fli
PDBsum2fli
PubMed16489742
UniProtQ9A1H8

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